(4S)-2-butyl-4-(1H-indol-3-ylmethyl)-3-(4-methylphenyl)sulfonyl-1,3,2-oxazaborolidin-5-one

Systemtic Name: (4S)-2-butyl-4-(1H-indol-3-ylmethyl)-3-(4-methylphenyl)sulfonyl-1,3,2-oxazaborolidin-5-one Openeye Name: (4S)-2-butyl-4-(1H-indol-3-ylmethyl)-3-(p-tolylsulfonyl)-1,3,2-oxazaborolidin-5-one CAS Name: (4S)-2-butyl-4-(1H-indol-3-ylmethyl)-3-(4-methylphenyl)sulfonyl-1,3,2-oxazaborolidin-5-one IUPAC Name: (4S)-2-butyl-4-(1H-indol-3-ylmethyl)-3-(4-methylphenyl)sulfonyl-1,3,2-oxazaborolidin-5-one Traditional Name: (4S)-2-butyl-4-(1H-indol-3-ylmethyl)-3-tosyl-1,3,2-oxazaborolidin-5-one Formula: C22H25BN2O4S MolecularWeight: 424.3209

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Descriptors Computed from Structure

Canonical SMILES:

B1(N(C(C(=O)O1)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)CCCC

Isomeric SMILES

B1(N([C@H](C(=O)O1)CC2=CNC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)CCCC

InChI

InChI=1S/C22H25BN2O4S/c1-3-4-13-23-25(30(27,28)18-11-9-16(2)10-12-18)21(22(26)29-23)14-17-15-24-20-8-6-5-7-19(17)20/h5-12,15,21,24H,3-4,13-14H2,1-2H3/t21-/m0/s1